2-[3-cyano-4-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanoic acid

Systemtic Name: 2-[3-cyano-4-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanoic acid Openeye Name: 2-[3-cyano-4-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]acetic acid CAS Name: 2-[3-cyano-4-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]acetic acid IUPAC Name: 2-[3-cyano-4-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]acetic acid Traditional Name: 2-[3-cyano-4-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]acetic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=C(C=C3)CC(=O)O)C#N)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=C(C=C3)CC(=O)O)C#N)O

InChI

InChI=1S/C26H28N2O4/c1-26(2,14-19-7-9-20-5-3-4-6-21(20)12-19)28-16-23(29)17-32-24-10-8-18(13-25(30)31)11-22(24)15-27/h3-12,23,28-29H,13-14,16-17H2,1-2H3,(H,30,31)